1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

C17H24BrClN4O2 — CID 119445531

IUPAC1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H23BrN4O2.ClH/c18-14-3-1-2-4-15(14)22-12-13(11-16(22)23)17(24)20-7-10-21-8-5-19-6-9-21;/h1-4,13,19H,5-12H2,(H,20,24);1H
InChIKeyIVAGKBXRRZACAO-UHFFFAOYSA-N
MW431.76 g/mol
LogP1.25
Rot. Bonds5

About 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride

1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119445531) has the molecular formula C17H24BrClN4O2 and a molecular weight of 431.76 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119445531
Molecular FormulaC17H24BrClN4O2
Molecular Weight431.76 g/mol
Exact Mass430.08
IUPAC Name1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C17H23BrN4O2.ClH/c18-14-3-1-2-4-15(14)22-12-13(11-16(22)23)17(24)20-7-10-21-8-5-19-6-9-21;/h1-4,13,19H,5-12H2,(H,20,24);1H
InChIKeyIVAGKBXRRZACAO-UHFFFAOYSA-N
XLogP1.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.76
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
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1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
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5-oxo-N-(2-piperazin-1-ylethyl)-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 119445191
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CID 51159436
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
5-oxo-1-(1-phenylethyl)-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
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1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 17080666
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3R)-1-(2-bromophenyl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 39562299
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119445531) is 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IVAGKBXRRZACAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2.ClH/c18-14-3-1-2-4-15(14)22-12-13(11-16(22)23)17(24)20-7-10-21-8-5-19-6-9-21;/h1-4,13,19H,5-12H2,(H,20,24);1H.
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride?
1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 431.76 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119445531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).